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PUBCHEM-ZINC05872920

 MMsINC code: MMs03425215
Type: Neutral
Formula: C23H25O3P
SMILES:   P(=O)(Cc1ccccc1)(C(O)Cc1ccccc1)C(O)Cc1ccccc1
InChI:   InChI=1/C23H25O3P/c24-22(16-19-10-4-1-5-11-19)27(26,18-21-14-8-3-9-15-21)23(25)17-20-12-6-2-7-13-20/h1-15,22-25H,16-18H2/t22-,23-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.424 g/mol  logS: -3.88528  SlogP: 3.86804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100588  Sterimol/B1: 2.11087  Sterimol/B2: 3.62628  Sterimol/B3: 5.71328
  Sterimol/B4: 7.20275  Sterimol/L: 17.2001 
 
 Surface and Volume Properties
  Accessible surface: 612.56  Positive charged surface: 316.324  Negative charged surface: 296.236  Volume: 379.875
  Hydrophobic surface: 544.387  Hydrophilic surface: 68.173
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.